1-[5-[(5-azanyl-2,4,4-trimethyl-5-oxidanylidene-pentan-2-yl)carbamoylamino]-3-chloranyl-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[5-[(5-azanyl-2,4,4-trimethyl-5-oxidanylidene-pentan-2-yl)carbamoylamino]-3-chloranyl-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[5-[(4-amino-1,1,3,3-tetramethyl-4-oxo-butyl)carbamoylamino]-3-chloro-2-hydroxy-phenyl]cyclohexanecarboxylic acid CAS Name: 1-[5-[[[(5-amino-2,4,4-trimethyl-5-oxopentan-2-yl)amino]-oxomethyl]amino]-3-chloro-2-hydroxyphenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[5-[(5-amino-2,4,4-trimethyl-5-oxopentan-2-yl)carbamoylamino]-3-chloro-2-hydroxyphenyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[5-[(4-amino-4-keto-1,1,3,3-tetramethyl-butyl)carbamoylamino]-3-chloro-2-hydroxy-phenyl]cyclohexanecarboxylic acid Formula: C22H32ClN3O5 MolecularWeight: 453.95958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C)NC(=O)NC1=CC(=C(C(=C1)C2(CCCCC2)C(=O)O)O)Cl)C(=O)N

Isomeric SMILES

CC(C)(CC(C)(C)NC(=O)NC1=CC(=C(C(=C1)C2(CCCCC2)C(=O)O)O)Cl)C(=O)N

InChI

InChI=1S/C22H32ClN3O5/c1-20(2,17(24)28)12-21(3,4)26-19(31)25-13-10-14(16(27)15(23)11-13)22(18(29)30)8-6-5-7-9-22/h10-11,27H,5-9,12H2,1-4H3,(H2,24,28)(H,29,30)(H2,25,26,31)